⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL7422679 | 1.00 | — | — | |
| Octanol SCHEMBL28798465 | 0.92 | ALDH1A1 (0.68) | — | |
| 1-Pentanol SCHEMBL1996339 | 0.91 | — | — | |
| 1-Pentanol SCHEMBL27663694 | 0.91 | SMN1; SMN2 (0.71) | — | |
| Butyl Alcohol SCHEMBL28328341 | 0.89 | ALDH1A1 (0.55) | — | |
| Butyl Alcohol SCHEMBL8968575 | 0.89 | ALDH1A1 (0.55) | — | |
| 1-Hexanol SCHEMBL15874705 | 0.88 | LMNA (0.72) | — | |
| 1-Heptanol SCHEMBL28112955 | 0.88 | LMNA (0.72) | — | |
| Butyl Alcohol SCHEMBL27862550 | 0.88 | — | — | |
| Butyl Alcohol SCHEMBL16816905 | 0.87 | ALDH1A1 (0.52) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023160541-A1 | PREPARATION METHOD OF NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | 四川海思科制药有限公司 | 2023-08-31 | — | — | WO | claimed |
| CN-113075320-B | Detection method and consistency evaluation method for azithromycin particle impurities | 海南海力制药有限公司 | 2023-02-03 | — | — | CN | claimed |
| CN-113075320-A | Detection method and consistency evaluation method for azithromycin particle impurities | 海南海力制药有限公司 | 2021-07-06 | — | — | CN | claimed |
| CN-107011149-B | The preparation method of 3- tertiary butyl-4-hydroxy benzenpropanoic acid | 哈尔滨理工大学 | 2019-07-30 | — | — | CN | claimed |
| CN-107011149-A | The preparation method of the hydroxy phenylpropionic acid of 3 tert-butyl group 4 | 哈尔滨理工大学 | 2017-08-04 | — | — | CN | claimed |
| EP-2619205-B1 | MONOHYDRATE OF AN AZAADAMANTANE DERIVATIVE | ABBVIE BAHAMAS LTD (BS) | 2017-05-17 | — | — | EP | claimed |
| CN-103951549-B | A kind of synthetic method of COX-2 enzyme inhibitors celecoxib intermediate | HEBEI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2016-04-27 | — | — | CN | claimed |
| US-20150239882-A1 | NOVEL MONOHYDRATE OF AZAADAMANTANE DERIVATIVES | ABBVIE INC. | 2015-08-27 | — | — | US | claimed |
| CN-102911142-B | Method for preparing 5-hydroxymethylfurfural | UNIV FUDAN | 2015-04-22 | — | — | CN | claimed |
| CN-103951549-A | Synthetic method of COX-2 enzyme inhibitor celecoxib intermediate | UNIV HEBEI SCIENCE & TECH | 2014-07-30 | — | — | CN | claimed |
| EP-2619205-A1 | MONOHYDRATE OF AN AZAADAMANTANE DERIVATIVE | AbbVie Inc. (US) | 2013-07-31 | — | — | EP | claimed |
| CN-103180321-A | Monohydrate of azaadamantane derivative | ABBOTT LAB | 2013-06-26 | — | — | CN | claimed |
| CN-102911142-A | Method for preparing 5-hydroxymethylfurfural | UNIV FUDAN | 2013-02-06 | — | — | CN | claimed |
| US-20120245195-A1 | NOVEL MONOHYDRATE OF AZAADAMANTANE DERIVATIVES | ABBOTT LABORATORIES (US) | 2012-09-27 | — | — | US | claimed |
| US-20120241002-A1 | COAL SOLAR CELLS | SOUTHERN ILLINOIS UNIVERSITY CARBONDALE (US) | 2012-09-27 | — | — | US | claimed |
| WO-2012040404-A1 | MONOHYDRATE OF AN AZAADAMANTANE DERIVATIVE | ABBOTT LABORATORIES (US) | 2012-03-29 | — | — | WO | claimed |
| US-20100041885-A1 | CRYSTALLINE FORMS OF SITAGLIPTIN PHOSPHATE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2010-02-18 | — | — | US | claimed |
| WO-2009120746-A2 | CRYSTALLINE FORMS OF SITAGLIPTIN PHOSPHATE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2009-10-01 | — | — | WO | claimed |
| CN-1821196-A | Method for extracting high purity solanesol from low content solanesol extract | LI XIANGQING (CN) | 2006-08-23 | — | — | CN | claimed |
| US-5166423-A | Catalysis with piperidine nitroxide free radical, nitric acid and oxidant; by-product inhibition | SHELL OIL COMPANY (US) | 1992-11-24 | — | — | US | claimed |